2-Chloro-4-(methylthio)-ε-oxobenzenehexanoic acid

CAS Registry Number®

951889-94-4

CAS Name

2-Chloro-4-(methylthio)-ε-oxobenzenehexanoic acid

Molecular Formula

C13H15ClO3S

Molecular Mass

286.77

Cite this Page

2-Chloro-4-(methylthio)-ε-oxobenzenehexanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=951889-94-4 (retrieved 2024-11-25) (CAS RN: 951889-94-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H15ClO3S/c1-18-9-6-7-10(11(14)8-9)12(15)4-2-3-5-13(16)17/h6-8H,2-5H2,1H3,(H,16,17)

InChIKey

InChIKey=WGDRSBJOERECRL-UHFFFAOYSA-N

SMILES

C(CCCCC(O)=O)(=O)C1=C(Cl)C=C(SC)C=C1

Canonical SMILES

O=C(O)CCCCC(=O)C1=CC=C(SC)C=C1Cl

Other Names for this Substance

  • Benzenehexanoic acid, 2-chloro-4-(methylthio)-ε-oxo-
  • 2-Chloro-4-(methylthio)-ε-oxobenzenehexanoic acid

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